(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide

C15H19FN2O3 — CID 95904870

IUPAC(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
SMILESC[C@@H](CC(=O)NC(C)(C)C(N)=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c1-9(7-12(19)18-15(2,3)14(17)21)13(20)10-5-4-6-11(16)8-10/h4-6,8-9H,7H2,1-3H3,(H2,17,21)(H,18,19)/t9-/m0/s1
InChIKeyIYEFLHQFUHXDFZ-VIFPVBQESA-N
MW294.33 g/mol
LogP1.41
Rot. Bonds6

About (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide

(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide (PubChem CID 95904870) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide.

Molecular Properties

Compound Name(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
PubChem CID95904870
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
SMILESC[C@@H](CC(=O)NC(C)(C)C(N)=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c1-9(7-12(19)18-15(2,3)14(17)21)13(20)10-5-4-6-11(16)8-10/h4-6,8-9H,7H2,1-3H3,(H2,17,21)(H,18,19)/t9-/m0/s1
InChIKeyIYEFLHQFUHXDFZ-VIFPVBQESA-N
XLogP1.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 119525803
(3R)-4-(3-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 94173994
3-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-methylamino]-2-methylpropanoic acid
CID 122111701
1-(3-fluorophenyl)-3,5,5-trimethylhexan-1-one
CID 114962701
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948
4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide
CID 71984441
4-[4-(1-aminoethyl)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119517719

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The IUPAC name of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide (CID 95904870) is (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide.
What is the SMILES notation for (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The canonical SMILES for (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide is C[C@@H](CC(=O)NC(C)(C)C(N)=O)C(=O)c1cccc(F)c1.
What is the InChIKey of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
The InChIKey is IYEFLHQFUHXDFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(7-12(19)18-15(2,3)14(17)21)13(20)10-5-4-6-11(16)8-10/h4-6,8-9H,7H2,1-3H3,(H2,17,21)(H,18,19)/t9-/m0/s1.
What are the key properties of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide?
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide has a molecular weight of 294.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide is sourced from PubChem (CID 95904870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).